N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C16H14N4OS — CID 1092456

IUPACN-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1
InChIInChI=1S/C16H14N4OS/c1-11(21)18-13-6-4-5-12(9-13)14-10-22-16(19-14)20-15-7-2-3-8-17-15/h2-10H,1H3,(H,18,21)(H,17,19,20)
InChIKeyCIPZTVWSXBUVQO-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.91
Rot. Bonds4

About N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 1092456) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID1092456
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1
InChIInChI=1S/C16H14N4OS/c1-11(21)18-13-6-4-5-12(9-13)14-10-22-16(19-14)20-15-7-2-3-8-17-15/h2-10H,1H3,(H,18,21)(H,17,19,20)
InChIKeyCIPZTVWSXBUVQO-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 1092456) is N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1.
What is the InChIKey of N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is CIPZTVWSXBUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11(21)18-13-6-4-5-12(9-13)14-10-22-16(19-14)20-15-7-2-3-8-17-15/h2-10H,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 1092456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).